README.md

My baseline solution for AICROWD's Learning to smell competition.

TL;DR

I use precomputed fingerprints from PubChem database, which are collected at pubchem_fingerprints.csv file. The script download_data_from_pubchem.py can be used for downloading them (might be slow, because it downloads data from remote server).

HOWTO run and reproduce

1. Download files from competition and save them to data directory.
2. File pubchem_fingerprints.csv is already precomputed - it is output from python download_data_from_pubchem.py run.
3. You can run baseline_solution.ipynb with jupyter notebook.

You can also read my Medium post about this solution both with some ideas what to do next.